tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane

C18H36O2Si2 — CID 100957891

IUPACtert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(/C1CCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-18(2,3)22(8,9)20-16-12-10-11-15(16)17(13-14-19-4)21(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b17-13-
InChIKeyRXKACRUMXZVNBF-LGMDPLHJSA-N
MW340.66 g/mol
LogP5.75
Rot. Bonds6

About tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane

tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane (PubChem CID 100957891) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane
PubChem CID100957891
Molecular FormulaC18H36O2Si2
Molecular Weight340.66 g/mol
Exact Mass340.23
IUPAC Nametert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(/C1CCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H36O2Si2/c1-18(2,3)22(8,9)20-16-12-10-11-15(16)17(13-14-19-4)21(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b17-13-
InChIKeyRXKACRUMXZVNBF-LGMDPLHJSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane (CID 100957891) is tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane is COC/C=C(/C1CCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane?
The InChIKey is RXKACRUMXZVNBF-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-18(2,3)22(8,9)20-16-12-10-11-15(16)17(13-14-19-4)21(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b17-13-.
What are the key properties of tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane?
tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane has a molecular weight of 340.66 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclopenten-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 100957891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).